Rashba-type spin splitting and transport properties of novel Janus XWGeN₂ (X = O, S, Se, Te) monolayers

Abstract

We propose and examine the stability, electronic properties, and transport characteristics of asymmetric monolayers $X$WGeN$_2$ ($X =$ O, S, Se, Te) using {\it ab-initio} density functional theory. All four monolayers...

First principles prediction of two-dimensional Janus STiXY2 (X = Si, Ge; Y = N, P, As) materials

“…[31][32][33][34] Motivated by the theoretical and experimental studies of MA 2 Z 4 family materials and the success of 2D Janus structures, R.T. Sibatov et al first proposed the asymmetric 2D Janus structure XMoSiN 2 , which is obtained by removing SiN from one side of a MoSi 2 N 4 monolayer and replacing the remaining N atom on the same side with an X atom (sulfur, selenium, or tellurium) to obtain a new five atomic layer of the Janus structure. 25 Thus, Janus structures for such new five-atomic layers based on the MA 2 Z 4 family, such as XMAZ 2 (X = O, S, Se, Te; M = Cr, Mo, W; A = Si, Ge; Z = N, P, As), have been theoretically predicted, 25,[35][36][37][38][39] and these structures have been found to have excellent photocatalytic, piezoelectric, Rashba-type spin splitting, and electronically tunable properties. Thus, they have a very wide range of applications in electronic and optoelectronic devices.…”

Hexagonal warping effect in the Janus group-VIA binary monolayers with large Rashba spin splitting and piezoelectricity

“…Since the SOC effect of the p-orbital of group VIA elements is much weaker than those of other heavy elements, the α R value of Janus VIA monolayers is much smaller than those of BiTeI (1.31 eV Å), 59 SbTeI (1.39 eV Å) 60 and WseTe (0.92 eV Å). 61 However, they are still comparable to those of MoSSe, 62 WSTe and MoSeTe, 63 XWGeN 2 , 64 and GaSe/MoSe 2 heterojunctions, 65 which is promising for future nonmagnetic spintronics devices.…”

“…Since the SOC effect of the p-orbital of group VIA elements is much weaker than those of other heavy elements, the a R value of Janus VIA monolayers is much smaller than those of BiTeI (1.31 eV Å), 59 SbTeI (1.39 eV Å) 60 and WseTe (0.92 eV Å). 61 However, they are still comparable to those of MoSSe, 62 WSTe and MoSeTe, 63 XWGeN 2 , 64 and GaSe/MoSe 2 heterojunctions, 65 which is promising for future nonmagnetic spintronics devices. In addition, valley spin splitting occurs between the K(M) point and the G point in the highest valence band energy level due to the existence of the net electric dipole moment of the system, as shown in Fig.…”

Electronic, optical, and transport properties of single-layer ZrTeS4: a DFT study

“…[10][11][12][13][14][15] The TMDs with asymmetric electronic properties are called 2D Janus materials, 16,17 and this anisotropy results in many effects including Rashba spin splitting, second harmonic generation, and polarization of piezoelectricity. 16,18 Another sub-branch of TMDs are MXenes, whose constituent chalcogens are carbon or nitrogen. [19][20][21] The MXenes are known to be very promising for highly efficient batteries, nanogenerators, flexible and conductive coatings, and gas sensors.…”